TL;DR: 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose (CAS 137731-71-6) is a chemical compound with molecular formula C25H32N6O19P2 and molecular weight 782.11975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-[5-[(E)-3-[(4-azido-2-hydroxybenzoyl)amino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Also Known As: 5-Asaaudg, 5-Asa-udp-glc, tert-Butyl trans-2-aminocyclohexylcarbamate, 5-(3-(p-Azidosalicylamine)allyluridine)-diphosphoglucose, 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose
| Molecular Formula | C25H32N6O19P2 |
| Molecular Weight | 782.11975 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 355.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 782.11975 Da |
| Heavy Atoms | 52 |
| Complexity | 1550.0 |
| SMILES | C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)NC/C=C/C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChIKey | LFFGUSMMCHZQPH-KBIXSYPFSA-N |
The XLogP value of -4.1 indicates that 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 355.0 Ų indicates high polarity, suggesting 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose has 11 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose is 137731-71-6.
The molecular formula of 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose is C25H32N6O19P2.
The molecular weight of 5-(3-(4-Azidosalicylamide)allyluridine)-5'-diphosphoglucose is 782.11975 g/mol.
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